CID 3064574

Brn 3403116

Structural Information

Molecular Formula
C18H21NO3
SMILES
COC1=C(C=CC(=C1)CNC(=O)CCCC2=CC=CC=C2)O
InChI
InChI=1S/C18H21NO3/c1-22-17-12-15(10-11-16(17)20)13-19-18(21)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12,20H,5,8-9,13H2,1H3,(H,19,21)
InChIKey
ISHGIHUSXUJBAR-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

299.15213 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 172.4
[M+Na]+ 322.14135 184.7
[M+NH4]+ 317.18595 179.4
[M+K]+ 338.11529 177.4
[M-H]- 298.14485 176.2
[M+Na-2H]- 320.12680 179.8
[M]+ 299.15158 175.1
[M]- 299.15268 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.